SCHEMBL9503501

SCHEMBL9503501

CCC(C)Oc1ccc(Oc2ccc(CCl)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.42
LTA4H P09960 1/20 0.38
POLB P06746 1/20 0.35
TTR P02766 1/20 0.35
ACACA Q13085 2/20 0.35
MAPT P10636 1/20 0.35
PPARG P37231 4/20 0.34
PPARA Q07869 4/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
ST14 Q9Y5Y6 1/20 0.33
P2RX3 P56373 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9502129 0.83 POLB (0.50) ACACBPOLBACACAMAPTALDH1A1
SCHEMBL122883 0.80 ACACB (0.45) ACACBLTA4HPOLBMAPT
SCHEMBL18473337 0.79 ACACB (0.47) ACACBLTA4HPOLBMAPTPPARG
SCHEMBL9502746 0.79 ALDH1A1 (0.46) ACACBACACAMAPTALDH1A1RAB9A
SCHEMBL8551187 0.78 ST14 (0.48) LTA4HTTRALDH1A1ST14
SCHEMBL1338731 0.78 ST14 (0.48) LTA4HTTRALDH1A1ST14
SCHEMBL5684816 0.78 ALDH1A1 (0.41) ACACBLTA4HPOLBMAPTALDH1A1
SCHEMBL4052368 0.77 ACACB (0.42) ACACBPOLBPPARGPPARAP2RX3
SCHEMBL9501778 0.77 ALDH1A1 (0.51) ACACBLTA4HTTRACACAMAPT
SCHEMBL27729576 0.77 ACACB (0.50) ACACBLTA4HPOLBACACAMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0186190-B1 BENZIMIDAZOLE DERIVATIVES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-05-26 EP disclosed
EP-0132606-B1 BENZIMIDAZOLE DERIVATIVES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-10-07 EP disclosed
US-4663339-A Acaricidal and insecticidal substituted 1-phenylalkylbenzimidazoles SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-05-05 US disclosed
US-4612323-A Insecticidal and acaricidal derivatives of 1-benzylbenzimidazole SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-09-16 US disclosed
EP-0186190-A2 Benzimidazole derivatives, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-07-02 EP disclosed
EP-0132606-A1 Benzimidazole derivatives, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-02-13 EP disclosed